(12-propan-2-yl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)hydrazine

C12H16N4OS — CID 3725217

IUPAC(12-propan-2-yl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)hydrazine
SMILESCC(C)C1Cc2c(sc3ncnc(NN)c23)CO1
InChIInChI=1S/C12H16N4OS/c1-6(2)8-3-7-9(4-17-8)18-12-10(7)11(16-13)14-5-15-12/h5-6,8H,3-4,13H2,1-2H3,(H,14,15,16)
InChIKeyRRELJWKCAHWREU-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.07
Rot. Bonds2

About (12-propan-2-yl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)hydrazine

(12-propan-2-yl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)hydrazine (PubChem CID 3725217) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is (12-propan-2-yl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)hydrazine.

Molecular Properties

Compound Name(12-propan-2-yl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)hydrazine
PubChem CID3725217
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name(12-propan-2-yl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)hydrazine
SMILESCC(C)C1Cc2c(sc3ncnc(NN)c23)CO1
InChIInChI=1S/C12H16N4OS/c1-6(2)8-3-7-9(4-17-8)18-12-10(7)11(16-13)14-5-15-12/h5-6,8H,3-4,13H2,1-2H3,(H,14,15,16)
InChIKeyRRELJWKCAHWREU-UHFFFAOYSA-N
XLogP2.07
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (12-propan-2-yl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)hydrazine?
The IUPAC name of (12-propan-2-yl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)hydrazine (CID 3725217) is (12-propan-2-yl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)hydrazine.
What is the SMILES notation for (12-propan-2-yl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)hydrazine?
The canonical SMILES for (12-propan-2-yl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)hydrazine is CC(C)C1Cc2c(sc3ncnc(NN)c23)CO1.
What is the InChIKey of (12-propan-2-yl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)hydrazine?
The InChIKey is RRELJWKCAHWREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-6(2)8-3-7-9(4-17-8)18-12-10(7)11(16-13)14-5-15-12/h5-6,8H,3-4,13H2,1-2H3,(H,14,15,16).
What are the key properties of (12-propan-2-yl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)hydrazine?
(12-propan-2-yl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)hydrazine has a molecular weight of 264.35 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (12-propan-2-yl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)hydrazine is sourced from PubChem (CID 3725217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).